4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline

C18H22F3N3O — CID 133401397

IUPAC4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
SMILESCCOCCN1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H22F3N3O/c1-2-25-12-11-23-7-9-24(10-8-23)17-5-6-22-16-13-14(18(19,20)21)3-4-15(16)17/h3-6,13H,2,7-12H2,1H3
InChIKeyZMRBKIRYEBXNDD-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.41
Rot. Bonds5

About 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline

4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline (PubChem CID 133401397) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
PubChem CID133401397
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
SMILESCCOCCN1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H22F3N3O/c1-2-25-12-11-23-7-9-24(10-8-23)17-5-6-22-16-13-14(18(19,20)21)3-4-15(16)17/h3-6,13H,2,7-12H2,1H3
InChIKeyZMRBKIRYEBXNDD-UHFFFAOYSA-N
XLogP3.41
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402824
7-(trifluoromethyl)-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoline
CID 133401314
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133448497
1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
CID 133401394
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
CID 133402379
N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 133404980
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766
5-cyclopropyl-3-[[4-[7-(trifluoromethyl)quinolin-4-yl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133401435
4-chloro-1-[[4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methyl]indole-2,3-dione
CID 46232424
2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
CID 133401937
7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 133412182

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline (CID 133401397) is 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline is CCOCCN1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline?
The InChIKey is ZMRBKIRYEBXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-2-25-12-11-23-7-9-24(10-8-23)17-5-6-22-16-13-14(18(19,20)21)3-4-15(16)17/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline?
4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline has a molecular weight of 353.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 133401397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).